[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum

C169H172BN14O2Pt3-9 — CID 157440793

About [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum

[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum (PubChem CID 157440793) has the molecular formula C169H172BN14O2Pt3-9 and a molecular weight of 3027.38 g/mol. Its IUPAC name is [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 157440793
• Molecular Formula: C169H172BN14O2Pt3-9
• Molecular Weight: 3027.38 g/mol
• Exact Mass: 3025.29
• IUPAC Name: [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(B(c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c2ccccc2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.Cc1cccc(C)c1-n1cnnc1-n1c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cccc(C(C)(C)C)c5)c5ccc(C(C)(C)C)cc54)cc(C(C)(C)C)c3)ccc2c2ccccc21.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C58H60BN4.C58H59N4O.C53H53N6O.3Pt/c1-55(2,3)39-19-18-22-46(32-39)61-38-62(53-34-40(56(4,5)6)25-28-51(53)61)47-33-42(58(10,11)12)31-45(36-47)59(43-20-14-13-15-21-43)44-26-27-49-48-23-16-17-24-50(48)63(52(49)37-44)54-35-41(29-30-60-54)57(7,8)9;1-55(2,3)40-19-16-20-44(30-40)60-37-61(53-33-41(56(4,5)6)22-26-51(53)60)45-31-43(58(10,11)12)32-47(35-45)63-46-23-24-48-49-29-39(38-17-14-13-15-18-38)21-25-50(49)62(52(48)36-46)54-34-42(27-28-59-54)57(7,8)9;1-34-16-14-17-35(2)49(34)56-32-54-55-50(56)59-45-21-13-12-20-43(45)44-24-23-41(31-47(44)59)60-42-28-38(53(9,10)11)27-40(30-42)58-33-57(39-19-15-18-36(26-39)51(3,4)5)46-25-22-37(29-48(46)58)52(6,7)8;;;/h13-35,38H,1-12H3;13-34,37H,1-12H3;12-29,32-33H,1-11H3;;;/q3*-3
• InChIKey: OBXNAPFXHXOJDK-UHFFFAOYSA-N
• XLogP: 42.40
• TPSA: 109.18 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3027.38
LogP ≤ 5	42.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum (CID 157440793) is [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(B(c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c2ccccc2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.Cc1cccc(C)c1-n1cnnc1-n1c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cccc(C(C)(C)C)c5)c5ccc(C(C)(C)C)cc54)cc(C(C)(C)C)c3)ccc2c2ccccc21.[Pt].[Pt].[Pt].

What is the InChIKey of [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is OBXNAPFXHXOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60BN4.C58H59N4O.C53H53N6O.3Pt/c1-55(2,3)39-19-18-22-46(32-39)61-38-62(53-34-40(56(4,5)6)25-28-51(53)61)47-33-42(58(10,11)12)31-45(36-47)59(43-20-14-13-15-21-43)44-26-27-49-48-23-16-17-24-50(48)63(52(49)37-44)54-35-41(29-30-60-54)57(7,8)9;1-55(2,3)40-19-16-20-44(30-40)60-37-61(53-33-41(56(4,5)6)22-26-51(53)60)45-31-43(58(10,11)12)32-47(35-45)63-46-23-24-48-49-29-39(38-17-14-13-15-18-38)21-25-50(49)62(52(48)36-46)54-34-42(27-28-59-54)57(7,8)9;1-34-16-14-17-35(2)49(34)56-32-54-55-50(56)59-45-21-13-12-20-43(45)44-24-23-41(31-47(44)59)60-42-28-38(53(9,10)11)27-40(30-42)58-33-57(39-19-15-18-36(26-39)51(3,4)5)46-25-22-37(29-48(46)58)52(6,7)8;;;/h13-35,38H,1-12H3;13-34,37H,1-12H3;12-29,32-33H,1-11H3;;;/q3*-3;;;.

What are the key properties of [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 3027.38 g/mol, XLogP of 42.40, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 157440793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).